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Abordagens in silico para a conceção de candidatos a medicamentos

Abordagens in silico para a conceção de candidatos a medicamentos

Hamid Maghat / Mohammed Bouachrine / Youness MOUKHLISS

66,79 €
IVA incluido
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2026
Materia
Farmacología
ISBN:
9786209636776
66,79 €
IVA incluido
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Sobre IBD

A descoberta e o desenvolvimento de medicamentos é uma prática dispendiosa e morosa, e as abordagens de conceção de medicamentos assistida por computador estão a ganhar popularidade na indústria farmacêutica para acelerar o processo. Com a ajuda destas abordagens, os cientistas podem concentrar-se nos compostos com melhor desempenho para minimizar as dificuldades dos ensaios sintéticos e biológicos. É este o foco do trabalho desta tese, cujo principal objetivo é propor novos candidatos a fármacos à base de isoxazol utilizando várias abordagens in silico, incluindo a modelização QSAR, a avaliação das propriedades farmacocinéticas e da toxicidade, a avaliação da estabilidade dos complexos ligando-recetor, a deteção de túneis de transporte de ligandos, a avaliação da sua eficácia biológica e a proposta de rotas de síntese. Os vários resultados obtidos constituem uma base de referência útil para investigadores interessados nos domínios da conceção de medicamentos, bioinformática, cinética do transporte de medicamentos e síntese química.

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